SCHEMBL29057492

SCHEMBL29057492

CC1CN(CC(=O)Nc2ccc(Cc3ccccc3)cc2)CCN1Cc1cnc(N)s1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 12/20 0.79
▸ HRH3 Q9Y5N1 1/20 0.43
▸ REV1 Q9UBZ9 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29057518 0.93 OGA (0.77) OGALMNA
SCHEMBL27008559 0.88 OGA (1.00) OGA
SCHEMBL29057450 0.88 OGA (0.77) OGAHRH3ATM
SCHEMBL29057480 0.88 OGA (0.77) OGAHRH3ATM
SCHEMBL29057427 0.88 OGA (0.77) OGAREV1ATM
SCHEMBL29057446 0.88 OGA (0.77) OGAHRH3ATM
SCHEMBL29057447 0.86 OGA (0.74) OGAATMMEN1KMT2ALMNA
SCHEMBL29057470 0.82 OGA (0.81) OGAHRH3REV1MEN1KMT2A
SCHEMBL27008545 0.80 OGA (1.00) OGA
SCHEMBL29057543 0.78 OGA (0.71) OGAATMMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 — — CN disclosed
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